(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione

C21H30N2O4 — CID 7619041

IUPAC(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCCCOc1ccc(OCCN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N2O4/c1-3-14-26-17-9-11-18(12-10-17)27-15-13-23-19(24)21(2,22-20(23)25)16-7-5-4-6-8-16/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyIIRYJJQGTPCSLK-NRFANRHFSA-N
MW374.48 g/mol
LogP3.74
Rot. Bonds8

About (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione

(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 7619041) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID7619041
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCCCOc1ccc(OCCN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N2O4/c1-3-14-26-17-9-11-18(12-10-17)27-15-13-23-19(24)21(2,22-20(23)25)16-7-5-4-6-8-16/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyIIRYJJQGTPCSLK-NRFANRHFSA-N
XLogP3.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-5-cyclohexyl-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7618695
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 112774676
5-cyclopropyl-3-[2-(2-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4881528
3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
CID 17486200
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043083
(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97070496
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42898078
(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 41411892
(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090037

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione (CID 7619041) is (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione is CCCOc1ccc(OCCN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)cc1.
What is the InChIKey of (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is IIRYJJQGTPCSLK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-3-14-26-17-9-11-18(12-10-17)27-15-13-23-19(24)21(2,22-20(23)25)16-7-5-4-6-8-16/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,25)/t21-/m0/s1.
What are the key properties of (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione?
(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 374.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7619041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).